2-[5-methoxy-2-methyl-1-(4-phenethyloxyphenyl)carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-methoxy-2-methyl-1-(4-phenethyloxyphenyl)carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-methoxy-2-methyl-1-(4-phenethyloxybenzoyl)indol-3-yl]acetic acid CAS Name: 2-[5-methoxy-2-methyl-1-[oxo-(4-phenethyloxyphenyl)methyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-methoxy-2-methyl-1-(4-phenethyloxybenzoyl)indol-3-yl]acetic acid Traditional Name: 2-[5-methoxy-2-methyl-1-(4-phenethyloxybenzoyl)indol-3-yl]acetic acid Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C27H25NO5/c1-18-23(17-26(29)30)24-16-22(32-2)12-13-25(24)28(18)27(31)20-8-10-21(11-9-20)33-15-14-19-6-4-3-5-7-19/h3-13,16H,14-15,17H2,1-2H3,(H,29,30)